N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CCCCC4

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C25H28N4O2S/c1-17-12-14-26-22(16-17)29-24(31)20-10-6-7-11-21(20)28-25(29)32-18(2)23(30)27-15-13-19-8-4-3-5-9-19/h6-8,10-12,14,16,18H,3-5,9,13,15H2,1-2H3,(H,27,30)